Organic compounds
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6-Methylquinoline, 98%, Thermo Scientific Chemicals
CAS: 91-62-3 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.19 MDL Number: MFCD00006804 InChI Key: LUYISICIYVKBTA-UHFFFAOYSA-N Synonym: quinoline, 6-methyl,p-toluquinoline,6-methyl-quinoline,tolliquinoline, p,ccris 407,fema no. 2744,quinoline, 6-methyl-8ci,9ci,dsstox_cid_887,dsstox_rid_75844,dsstox_gsid_20887 PubChem CID: 7059 IUPAC Name: 6-methylquinoline SMILES: CC1=CC=C2N=CC=CC2=C1
| PubChem CID | 7059 |
|---|---|
| CAS | 91-62-3 |
| Molecular Weight (g/mol) | 143.19 |
| MDL Number | MFCD00006804 |
| SMILES | CC1=CC=C2N=CC=CC2=C1 |
| Synonym | quinoline, 6-methyl,p-toluquinoline,6-methyl-quinoline,tolliquinoline, p,ccris 407,fema no. 2744,quinoline, 6-methyl-8ci,9ci,dsstox_cid_887,dsstox_rid_75844,dsstox_gsid_20887 |
| IUPAC Name | 6-methylquinoline |
| InChI Key | LUYISICIYVKBTA-UHFFFAOYSA-N |
| Molecular Formula | C10H9N |
3,5-Diiodosalicylaldehyde, 97%
CAS: 2631-77-8 Molecular Formula: C7H4I2O2 Molecular Weight (g/mol): 373.92 InChI Key: MYWSBJKVOUZCIA-UHFFFAOYSA-N Synonym: 3,5-diiodosalicylaldehyde,benzaldehyde, 2-hydroxy-3,5-diiodo,3,5-diiodo-2-hydroxybenzaldehyde,2-hydroxy-3,5-diiodo-benzaldehyde,acmc-20ancp,3,5-diodosolicylaldehyde,2,4-diiodo-6-formylphenol,#,benzaldehyde,2-hydroxy-3,5-diiodo PubChem CID: 75829 IUPAC Name: 2-hydroxy-3,5-diiodobenzaldehyde SMILES: C1=C(C=C(C(=C1I)O)C=O)I
| PubChem CID | 75829 |
|---|---|
| CAS | 2631-77-8 |
| Molecular Weight (g/mol) | 373.92 |
| SMILES | C1=C(C=C(C(=C1I)O)C=O)I |
| Synonym | 3,5-diiodosalicylaldehyde,benzaldehyde, 2-hydroxy-3,5-diiodo,3,5-diiodo-2-hydroxybenzaldehyde,2-hydroxy-3,5-diiodo-benzaldehyde,acmc-20ancp,3,5-diodosolicylaldehyde,2,4-diiodo-6-formylphenol,#,benzaldehyde,2-hydroxy-3,5-diiodo |
| IUPAC Name | 2-hydroxy-3,5-diiodobenzaldehyde |
| InChI Key | MYWSBJKVOUZCIA-UHFFFAOYSA-N |
| Molecular Formula | C7H4I2O2 |
Methyl 6-chloropyridazine-4-carboxylate, 97%
CAS: 1093860-48-0 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.57 MDL Number: MFCD16660968 InChI Key: QYQHGLKSLGUINZ-UHFFFAOYSA-N Synonym: 6-chloro-pyridazine-4-carboxylic acid methyl ester,methyl6-chloropyridazine-4-carboxylate,4-pyridazinecarboxylicacid, 6-chloro-, methyl ester,6-chloro-4-pyridazinecarboxylic acid, methyl ester,4-pyridazinecarboxylic acid, 6-chloro-, methyl ester PubChem CID: 45790080 IUPAC Name: methyl 6-chloropyridazine-4-carboxylate SMILES: COC(=O)C1=CC(Cl)=NN=C1
| PubChem CID | 45790080 |
|---|---|
| CAS | 1093860-48-0 |
| Molecular Weight (g/mol) | 172.57 |
| MDL Number | MFCD16660968 |
| SMILES | COC(=O)C1=CC(Cl)=NN=C1 |
| Synonym | 6-chloro-pyridazine-4-carboxylic acid methyl ester,methyl6-chloropyridazine-4-carboxylate,4-pyridazinecarboxylicacid, 6-chloro-, methyl ester,6-chloro-4-pyridazinecarboxylic acid, methyl ester,4-pyridazinecarboxylic acid, 6-chloro-, methyl ester |
| IUPAC Name | methyl 6-chloropyridazine-4-carboxylate |
| InChI Key | QYQHGLKSLGUINZ-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClN2O2 |
2-Hydroxy-5-nitrobenzaldehyde, 98+%
CAS: 97-51-8 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007337 InChI Key: IHFRMUGEILMHNU-UHFFFAOYSA-N Synonym: 5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052 PubChem CID: 66808 IUPAC Name: 2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=CC=C(C=C1C=O)[N+]([O-])=O
| PubChem CID | 66808 |
|---|---|
| CAS | 97-51-8 |
| Molecular Weight (g/mol) | 167.12 |
| MDL Number | MFCD00007337 |
| SMILES | OC1=CC=C(C=C1C=O)[N+]([O-])=O |
| Synonym | 5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052 |
| IUPAC Name | 2-hydroxy-5-nitrobenzaldehyde |
| InChI Key | IHFRMUGEILMHNU-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO4 |
2,4-Hexadiene, 90%, Tech., mixture of isomers
CAS: 592-46-1 Molecular Formula: C6H10 Molecular Weight (g/mol): 82.15 MDL Number: MFCD00009297,MFCD00009297 InChI Key: APPOKADJQUIAHP-CIIODKQPSA-N Synonym: unii-g4m9133vs9,2,4-hexadiene, e,z,cis,trans-2,4-hexadiene,2,4-hexadiene,e , z-ch3ch=chch=chch3,cis,trans-hexa-2,4-diene,2,4-hexadiene, 2e,4z,cis-2-trans-4-hexadiene,e,z-2,4-hexadiene,z,e-2,4-hexadiene PubChem CID: 643786 IUPAC Name: (2Z,4E)-hexa-2,4-diene SMILES: C\C=C\C=C/C
| PubChem CID | 643786 |
|---|---|
| CAS | 592-46-1 |
| Molecular Weight (g/mol) | 82.15 |
| MDL Number | MFCD00009297,MFCD00009297 |
| SMILES | C\C=C\C=C/C |
| Synonym | unii-g4m9133vs9,2,4-hexadiene, e,z,cis,trans-2,4-hexadiene,2,4-hexadiene,e , z-ch3ch=chch=chch3,cis,trans-hexa-2,4-diene,2,4-hexadiene, 2e,4z,cis-2-trans-4-hexadiene,e,z-2,4-hexadiene,z,e-2,4-hexadiene |
| IUPAC Name | (2Z,4E)-hexa-2,4-diene |
| InChI Key | APPOKADJQUIAHP-CIIODKQPSA-N |
| Molecular Formula | C6H10 |
5-Bromo-6-chloro-2-picoline, 98+%, Thermo Scientific Chemicals
CAS: 185017-72-5 Molecular Formula: C6H5BrClN Molecular Weight (g/mol): 206.47 MDL Number: MFCD03095218 InChI Key: JVDQYSIJBRTRMS-UHFFFAOYSA-N Synonym: 3-bromo-2-chloro-6-picoline,5-bromo-6-chloro-2-picoline,2-chloro-3-bromo-6-methylpyridine,5-bromo-6-chloro-2-methylpyridine,pyridine, 3-bromo-2-chloro-6-methyl,3-bromo-2-chloro-6-methyl-pyridine,pubchem1286,acmc-209emg,ksc538q8t,3-bromo-2-chloro-6 picoline PubChem CID: 2734418 IUPAC Name: 3-bromo-2-chloro-6-methylpyridine SMILES: CC1=CC=C(Br)C(Cl)=N1
| PubChem CID | 2734418 |
|---|---|
| CAS | 185017-72-5 |
| Molecular Weight (g/mol) | 206.47 |
| MDL Number | MFCD03095218 |
| SMILES | CC1=CC=C(Br)C(Cl)=N1 |
| Synonym | 3-bromo-2-chloro-6-picoline,5-bromo-6-chloro-2-picoline,2-chloro-3-bromo-6-methylpyridine,5-bromo-6-chloro-2-methylpyridine,pyridine, 3-bromo-2-chloro-6-methyl,3-bromo-2-chloro-6-methyl-pyridine,pubchem1286,acmc-209emg,ksc538q8t,3-bromo-2-chloro-6 picoline |
| IUPAC Name | 3-bromo-2-chloro-6-methylpyridine |
| InChI Key | JVDQYSIJBRTRMS-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrClN |
4-Methoxyphenethyl alcohol, 96%
CAS: 702-23-8 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002900 InChI Key: AUWDOZOUJWEPBA-UHFFFAOYSA-N Synonym: 2-4-methoxyphenyl ethanol,4-methoxyphenethyl alcohol,4-methoxybenzeneethanol,benzeneethanol, 4-methoxy,p-methoxyphenethyl alcohol,2-4-methoxyphenyl ethan-1-ol,unii-3mwl5nze9k,3mwl5nze9k,4-2-hydroxyethyl anisole,2-4-methoxyphenyl-ethanol PubChem CID: 69705 IUPAC Name: 2-(4-methoxyphenyl)ethanol SMILES: COC1=CC=C(C=C1)CCO
| PubChem CID | 69705 |
|---|---|
| CAS | 702-23-8 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00002900 |
| SMILES | COC1=CC=C(C=C1)CCO |
| Synonym | 2-4-methoxyphenyl ethanol,4-methoxyphenethyl alcohol,4-methoxybenzeneethanol,benzeneethanol, 4-methoxy,p-methoxyphenethyl alcohol,2-4-methoxyphenyl ethan-1-ol,unii-3mwl5nze9k,3mwl5nze9k,4-2-hydroxyethyl anisole,2-4-methoxyphenyl-ethanol |
| IUPAC Name | 2-(4-methoxyphenyl)ethanol |
| InChI Key | AUWDOZOUJWEPBA-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
2-Fluorophenacyl bromide, 98%
CAS: 655-15-2 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.04 InChI Key: QDNWNJSLWKHNTM-UHFFFAOYSA-N Synonym: 2-bromo-2'-fluoroacetophenone,2-bromo-1-2-fluorophenyl ethanone,2-fluorophenacyl bromide,2-bromo-1-2-fluorophenyl ethan-1-one,alpha-bromo-2-fluoroacetophenone,2-fluorophenacylbromide,ethanone, 2-bromo-1-2-fluorophenyl,o-fluorophenacyl bromide,omega-bromo-2-fluoroacetophenone,2-bromo-1-2'-fluorophenyl ethanone PubChem CID: 2737449 IUPAC Name: 2-bromo-1-(2-fluorophenyl)ethanone SMILES: C1=CC=C(C(=C1)C(=O)CBr)F
| PubChem CID | 2737449 |
|---|---|
| CAS | 655-15-2 |
| Molecular Weight (g/mol) | 217.04 |
| SMILES | C1=CC=C(C(=C1)C(=O)CBr)F |
| Synonym | 2-bromo-2'-fluoroacetophenone,2-bromo-1-2-fluorophenyl ethanone,2-fluorophenacyl bromide,2-bromo-1-2-fluorophenyl ethan-1-one,alpha-bromo-2-fluoroacetophenone,2-fluorophenacylbromide,ethanone, 2-bromo-1-2-fluorophenyl,o-fluorophenacyl bromide,omega-bromo-2-fluoroacetophenone,2-bromo-1-2'-fluorophenyl ethanone |
| IUPAC Name | 2-bromo-1-(2-fluorophenyl)ethanone |
| InChI Key | QDNWNJSLWKHNTM-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
Benzamide oxime, 97%
CAS: 613-92-3 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.15 MDL Number: MFCD00031485 MFCD00474011 InChI Key: MXOQNVMDKHLYCZ-UHFFFAOYSA-N Synonym: benzamidoxime,benzamide oxime,n'-hydroxybenzimidamide,benzohydroxamamide,n-hydroxybenzamidine,phenylhydroxamidine,n-hydroxybenzenecarboximidamide,ccris 2953,n'-hydroxybenzamidine,benzamidoxim PubChem CID: 7259353 ChEBI: CHEBI:83354 IUPAC Name: N'-hydroxybenzenecarboximidamide SMILES: N\C(=N/O)C1=CC=CC=C1
| PubChem CID | 7259353 |
|---|---|
| CAS | 613-92-3 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:83354 |
| MDL Number | MFCD00031485 MFCD00474011 |
| SMILES | N\C(=N/O)C1=CC=CC=C1 |
| Synonym | benzamidoxime,benzamide oxime,n'-hydroxybenzimidamide,benzohydroxamamide,n-hydroxybenzamidine,phenylhydroxamidine,n-hydroxybenzenecarboximidamide,ccris 2953,n'-hydroxybenzamidine,benzamidoxim |
| IUPAC Name | N'-hydroxybenzenecarboximidamide |
| InChI Key | MXOQNVMDKHLYCZ-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O |
3,5-Lutidine, 98+%
CAS: 591-22-0 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.15 MDL Number: MFCD00006404 InChI Key: HWWYDZCSSYKIAD-UHFFFAOYSA-N Synonym: 3,5-lutidine,pyridine, 3,5-dimethyl,unii-6q4ypz045v,3,5-dimethyl pyridine,3,5 lutidine,3,5-lutdcine,3,5-dimethylpyridin,3,5-dimethyl-pyridine,acmc-1axev,dsstox_cid_30825 PubChem CID: 11565 IUPAC Name: 3,5-dimethylpyridine SMILES: CC1=CC(=CN=C1)C
| PubChem CID | 11565 |
|---|---|
| CAS | 591-22-0 |
| Molecular Weight (g/mol) | 107.15 |
| MDL Number | MFCD00006404 |
| SMILES | CC1=CC(=CN=C1)C |
| Synonym | 3,5-lutidine,pyridine, 3,5-dimethyl,unii-6q4ypz045v,3,5-dimethyl pyridine,3,5 lutidine,3,5-lutdcine,3,5-dimethylpyridin,3,5-dimethyl-pyridine,acmc-1axev,dsstox_cid_30825 |
| IUPAC Name | 3,5-dimethylpyridine |
| InChI Key | HWWYDZCSSYKIAD-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
Methyl 3-bromopropionate, 97%
CAS: 3395-91-3 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.00 MDL Number: MFCD00000250 InChI Key: KQEVIFKPZOGBMZ-UHFFFAOYSA-N Synonym: methyl 3-bromopropionate,propanoic acid, 3-bromo-, methyl ester,methyl beta-bromopropionate,3-bromopropionic acid methyl ester,propionic acid, 3-bromo-, methyl ester,3-bromopropanoic acid methyl ester,unii-y803ch1p4w,beta-bromopropionic acid, methyl ester,methyl .beta.-bromopropionate,3-bromo-propionic acid methyl ester PubChem CID: 76934 IUPAC Name: methyl 3-bromopropanoate SMILES: COC(=O)CCBr
| PubChem CID | 76934 |
|---|---|
| CAS | 3395-91-3 |
| Molecular Weight (g/mol) | 167.00 |
| MDL Number | MFCD00000250 |
| SMILES | COC(=O)CCBr |
| Synonym | methyl 3-bromopropionate,propanoic acid, 3-bromo-, methyl ester,methyl beta-bromopropionate,3-bromopropionic acid methyl ester,propionic acid, 3-bromo-, methyl ester,3-bromopropanoic acid methyl ester,unii-y803ch1p4w,beta-bromopropionic acid, methyl ester,methyl .beta.-bromopropionate,3-bromo-propionic acid methyl ester |
| IUPAC Name | methyl 3-bromopropanoate |
| InChI Key | KQEVIFKPZOGBMZ-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO2 |
2-Methyl-1,3-cyclohexanedione, 98+%
CAS: 1193-55-1 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.16 MDL Number: MFCD00001587 InChI Key: VSGJHHIAMHUZKF-UHFFFAOYSA-N Synonym: 2-methyl-1,3-cyclohexanedione,1,3-cyclohexanedione, 2-methyl,1,3-dimethylcycloadipic ketone,2-methyl-1,3-cyclohexandione,1-methyl-2,6-cyclohexanedione,ghl.pd_mitscher_leg0.98,2-methylcyclohexan-1,3-dion,2-methyl-cyclohexane-1,3-dione,pubchem15384,acmc-209a2g PubChem CID: 70945 IUPAC Name: 2-methylcyclohexane-1,3-dione SMILES: CC1C(=O)CCCC1=O
| PubChem CID | 70945 |
|---|---|
| CAS | 1193-55-1 |
| Molecular Weight (g/mol) | 126.16 |
| MDL Number | MFCD00001587 |
| SMILES | CC1C(=O)CCCC1=O |
| Synonym | 2-methyl-1,3-cyclohexanedione,1,3-cyclohexanedione, 2-methyl,1,3-dimethylcycloadipic ketone,2-methyl-1,3-cyclohexandione,1-methyl-2,6-cyclohexanedione,ghl.pd_mitscher_leg0.98,2-methylcyclohexan-1,3-dion,2-methyl-cyclohexane-1,3-dione,pubchem15384,acmc-209a2g |
| IUPAC Name | 2-methylcyclohexane-1,3-dione |
| InChI Key | VSGJHHIAMHUZKF-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
2-Chloropropionyl chloride, 95%
CAS: 7623-09-8 Molecular Formula: C3H4Cl2O Molecular Weight (g/mol): 126.97 MDL Number: MFCD00000862 InChI Key: JEQDSBVHLKBEIZ-UHFFFAOYNA-N Synonym: 2-chloropropionyl chloride,propanoyl chloride, 2-chloro,alpha-chloropropionyl chloride,2-chloropropionic acid chloride,2-chloropropionylchloride,.alpha.-chloropropionyl chloride,2-chloropropanyl chloride,1,2dichloro-1-propanone,2-chloro-propionylchloride,1,2-dichloro-1-propanone PubChem CID: 111019 IUPAC Name: 2-chloropropanoyl chloride SMILES: CC(C(=O)Cl)Cl
| PubChem CID | 111019 |
|---|---|
| CAS | 7623-09-8 |
| Molecular Weight (g/mol) | 126.97 |
| MDL Number | MFCD00000862 |
| SMILES | CC(C(=O)Cl)Cl |
| Synonym | 2-chloropropionyl chloride,propanoyl chloride, 2-chloro,alpha-chloropropionyl chloride,2-chloropropionic acid chloride,2-chloropropionylchloride,.alpha.-chloropropionyl chloride,2-chloropropanyl chloride,1,2dichloro-1-propanone,2-chloro-propionylchloride,1,2-dichloro-1-propanone |
| IUPAC Name | 2-chloropropanoyl chloride |
| InChI Key | JEQDSBVHLKBEIZ-UHFFFAOYNA-N |
| Molecular Formula | C3H4Cl2O |
m-Anisic acid, 98%
CAS: 586-38-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002499 InChI Key: XHQZJYCNDZAGLW-UHFFFAOYSA-N Synonym: m-anisic acid,m-methoxybenzoic acid,benzoic acid, 3-methoxy,3-anisic acid,meta-anisic acid,3-methoxy-benzoic acid,unii-e2i36fh6qz,m-methylsalicylic acid,e2i36fh6qz,chembl22425 PubChem CID: 11461 IUPAC Name: 3-methoxybenzoic acid SMILES: COC1=CC=CC(=C1)C(=O)O
| PubChem CID | 11461 |
|---|---|
| CAS | 586-38-9 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00002499 |
| SMILES | COC1=CC=CC(=C1)C(=O)O |
| Synonym | m-anisic acid,m-methoxybenzoic acid,benzoic acid, 3-methoxy,3-anisic acid,meta-anisic acid,3-methoxy-benzoic acid,unii-e2i36fh6qz,m-methylsalicylic acid,e2i36fh6qz,chembl22425 |
| IUPAC Name | 3-methoxybenzoic acid |
| InChI Key | XHQZJYCNDZAGLW-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Rhenium pentacarbonyl chloride, 98%
CAS: 14099-01-5 Molecular Formula: C5ClO5Re Molecular Weight (g/mol): 361.71 MDL Number: MFCD00013296 InChI Key: JQUUAHKBIXPQAP-UHFFFAOYSA-M Synonym: pentacarbonylchlororhenium,carbon monoxide; chlororhenium,pentakis carbon monoxide ; chlororhenium,5co.clre,rhenium i pentacarbonyl chloride,pentacarbonylchlororhenium i PubChem CID: 6096982 IUPAC Name: carbon monoxide;chlororhenium SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].Cl[Re]
| PubChem CID | 6096982 |
|---|---|
| CAS | 14099-01-5 |
| Molecular Weight (g/mol) | 361.71 |
| MDL Number | MFCD00013296 |
| SMILES | [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].Cl[Re] |
| Synonym | pentacarbonylchlororhenium,carbon monoxide; chlororhenium,pentakis carbon monoxide ; chlororhenium,5co.clre,rhenium i pentacarbonyl chloride,pentacarbonylchlororhenium i |
| IUPAC Name | carbon monoxide;chlororhenium |
| InChI Key | JQUUAHKBIXPQAP-UHFFFAOYSA-M |
| Molecular Formula | C5ClO5Re |